8RP5
Alpha-Methylacyl-CoA racemase from Mycobacterium tuberculosis (E241A mutant)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-11-28 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 0.9762 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 180.619, 78.989, 58.923 |
Unit cell angles | 90.00, 92.19, 90.00 |
Refinement procedure
Resolution | 90.244 - 1.850 |
Rwork | 0.193 |
R-free | 0.23630 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.015 |
RMSD bond angle | 2.323 |
Data reduction software | DIALS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0419) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 90.244 | 90.240 | 1.890 |
High resolution limit [Å] | 1.850 | 9.060 | 1.850 |
Rmerge | 0.128 | 0.025 | 1.823 |
Rmeas | 0.152 | 0.029 | 2.156 |
Rpim | 0.081 | 0.015 | 1.142 |
Number of reflections | 70688 | 4318 | 30079 |
<I/σ(I)> | 8.2 | ||
Completeness [%] | 100.0 | ||
Redundancy | 6.8 | 6.7 | 6.9 |
CC(1/2) | 0.998 | 0.999 | 0.500 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 295.15 | 0.03 M magnesium chloride hexahydrate, 0.03 M calcium chloride dihydrate, 20 % (v/v) ethylene glycol, 10 % (w/v) PEG 8000, 0.1 M sodium HEPES-MOPS, pH 7.5 |